==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-08 3BYC . COMPND 2 MOLECULE: DIISOPROPYL-FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR M.-M.BLUM,M.MUSTYAKIMOV,H.RUTERJANS,B.P.SCHOENBORN,P.LANGAN, . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 42.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 28 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 3 3 6 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A I 0 0 124 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 106.0 10.6 21.8 45.1 2 4 A P - 0 0 84 0, 0.0 258,-1.7 0, 0.0 2,-0.4 -0.201 360.0-160.9 -55.8 142.8 9.0 23.9 47.9 3 5 A V E -a 260 0A 71 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.992 2.7-161.1-129.6 130.5 10.6 23.7 51.3 4 6 A I E -a 261 0A 56 256,-2.3 258,-2.8 -2,-0.4 255,-0.0 -0.778 9.3-156.0-111.0 155.5 9.0 24.6 54.7 5 7 A E - 0 0 158 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.687 20.3-178.5-128.2 76.5 10.7 25.4 58.0 6 8 A P - 0 0 33 0, 0.0 2,-0.5 0, 0.0 289,-0.0 -0.243 39.8 -90.0 -71.2 166.7 8.2 24.7 60.8 7 9 A L - 0 0 147 287,-0.1 2,-0.5 256,-0.0 287,-0.4 -0.678 40.3-153.9 -80.8 122.3 9.1 25.3 64.5 8 10 A F - 0 0 18 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.839 4.9-158.2 -98.6 130.7 10.6 22.2 66.1 9 11 A T E -E 292 0B 64 283,-2.7 283,-1.7 -2,-0.5 2,-0.2 -0.911 19.4-122.0-110.2 130.6 10.3 21.8 69.9 10 12 A K E +E 291 0B 82 -2,-0.5 281,-0.2 281,-0.2 3,-0.1 -0.498 30.2 175.3 -70.1 134.1 12.6 19.6 71.8 11 13 A V E - 0 0 25 279,-3.2 2,-0.3 1,-0.4 280,-0.2 0.808 60.9 -26.2-105.4 -47.7 10.8 16.8 73.8 12 14 A T E -E 290 0B 11 278,-1.4 278,-2.6 37,-0.0 -1,-0.4 -0.970 59.7-163.2-162.0 164.3 13.6 14.7 75.3 13 15 A E + 0 0 103 -2,-0.3 276,-0.2 276,-0.2 275,-0.1 -0.844 53.2 66.1-146.1-177.4 17.2 13.8 74.6 14 16 A D + 0 0 122 273,-0.8 275,-0.2 274,-0.4 -1,-0.1 0.924 60.7 139.3 64.6 49.2 20.1 11.4 75.3 15 17 A I > - 0 0 3 273,-2.4 3,-2.4 272,-0.2 -1,-0.2 -0.887 53.3-129.3-126.2 95.8 18.5 8.4 73.7 16 18 A P T 3 S- 0 0 41 0, 0.0 19,-1.4 0, 0.0 20,-0.4 -0.223 88.1 -7.8 -50.1 115.8 21.1 6.4 71.7 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 16,-0.2 15,-0.1 0.735 88.8-149.1 69.4 22.8 19.8 5.7 68.2 18 20 A A < + 0 0 0 -3,-2.4 2,-0.3 266,-0.2 15,-0.2 0.133 36.1 146.4 -27.5 118.0 16.3 7.1 69.1 19 21 A E E +H 32 0C 7 13,-2.3 13,-2.7 1,-0.1 54,-0.2 -0.872 28.8 43.7-148.3-177.1 13.8 5.2 67.0 20 22 A G E - 0 0 2 52,-0.8 -1,-0.1 -2,-0.3 53,-0.1 0.806 60.3-165.3 40.6 53.5 10.4 3.7 66.7 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.404 19.3 162.9 -66.2 138.5 8.2 6.5 68.1 22 24 A V E -H 30 0C 1 8,-2.4 8,-2.8 250,-0.1 2,-0.4 -0.997 34.3-140.8-155.9 155.3 4.7 5.2 68.9 23 25 A F E -H 29 0C 3 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.928 22.7-144.3-115.1 140.4 1.5 6.0 70.9 24 26 A D > - 0 0 5 4,-2.3 3,-1.5 -2,-0.4 57,-0.1 -0.308 37.3 -87.7 -95.1-177.8 -0.5 3.3 72.6 25 27 A K T 3 S+ 0 0 99 1,-0.3 -1,-0.1 52,-0.2 56,-0.0 0.691 127.8 52.9 -63.1 -19.4 -4.2 3.0 73.0 26 28 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 55,-0.0 0.499 120.6-105.6 -94.5 -5.1 -4.0 5.1 76.2 27 29 A G S < S+ 0 0 40 -3,-1.5 2,-0.1 1,-0.3 -2,-0.1 0.488 70.8 146.6 94.3 4.2 -2.1 7.9 74.6 28 30 A D - 0 0 68 1,-0.1 -4,-2.3 22,-0.0 2,-0.4 -0.468 42.8-130.7 -76.3 146.4 1.2 7.0 76.2 29 31 A F E +HI 23 49C 1 20,-0.7 20,-2.7 -6,-0.2 2,-0.3 -0.860 26.1 179.0-105.2 132.7 4.3 7.7 74.2 30 32 A Y E +HI 22 48C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.3 -0.948 6.8 176.8-130.3 153.7 7.1 5.2 73.6 31 33 A I E - I 0 47C 0 16,-1.8 16,-2.9 -2,-0.3 2,-0.3 -0.950 22.1-128.4-146.9 160.3 10.4 5.2 71.8 32 34 A V E -HI 19 46C 0 -13,-2.7 -13,-2.3 -2,-0.3 14,-0.2 -0.837 3.0-154.6-115.3 154.7 13.2 2.6 71.5 33 35 A A E > + I 0 45C 0 12,-3.0 12,-2.0 -2,-0.3 3,-0.9 -0.832 19.0 171.0-127.2 86.0 16.9 3.0 72.0 34 36 A P T 3 S+ 0 0 13 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.717 70.8 61.2 -69.1 -25.6 18.6 0.3 69.9 35 37 A E T 3 + 0 0 111 -19,-1.4 2,-0.2 8,-0.1 -18,-0.2 0.372 68.6 121.5 -89.4 8.0 22.1 1.6 70.4 36 38 A V < - 0 0 24 -3,-0.9 7,-2.5 -20,-0.4 2,-0.3 -0.520 43.7-174.3 -70.5 132.2 22.4 1.2 74.1 37 39 A E E -K 42 0D 120 -2,-0.2 2,-0.3 5,-0.2 -2,-0.1 -0.848 24.6-159.3-127.8 165.7 25.3 -1.1 74.9 38 40 A V E > S-K 41 0D 72 3,-2.4 3,-1.7 -2,-0.3 -2,-0.0 -0.916 83.3 -17.5-145.7 111.9 26.9 -2.8 77.9 39 41 A N T 3 S- 0 0 146 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.863 127.6 -54.1 59.2 37.8 30.5 -4.0 77.7 40 42 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.392 117.3 112.1 79.5 -4.2 30.4 -3.8 73.9 41 43 A K E < S-K 38 0D 142 -3,-1.7 -3,-2.4 1,-0.1 -1,-0.3 -0.765 77.8 -94.1-103.2 148.8 27.3 -6.0 73.8 42 44 A P E +K 37 0D 46 0, 0.0 26,-0.3 0, 0.0 -5,-0.2 -0.300 45.0 162.5 -59.9 140.3 23.8 -4.9 72.7 43 45 A A + 0 0 10 -7,-2.5 27,-0.1 -9,-0.2 -6,-0.1 -0.200 19.0 178.8-151.8 41.9 21.5 -3.9 75.5 44 46 A G - 0 0 0 25,-2.3 2,-0.3 -10,-0.3 25,-0.3 -0.052 11.5-148.3 -52.7 150.5 18.8 -1.9 73.7 45 47 A E E -I 33 0C 40 -12,-2.0 -12,-3.0 16,-0.2 2,-0.5 -0.904 15.6-143.0-127.6 158.0 15.9 -0.5 75.6 46 48 A I E -IJ 32 60C 0 14,-2.8 13,-2.1 -2,-0.3 14,-1.5 -0.971 32.1-167.2-115.8 121.5 12.2 0.3 75.2 47 49 A L E -IJ 31 58C 8 -16,-2.9 -16,-1.8 -2,-0.5 2,-0.4 -0.867 21.7-145.2-117.4 153.5 11.2 3.6 77.0 48 50 A R E -IJ 30 57C 78 9,-3.0 9,-1.5 -2,-0.3 2,-0.5 -0.912 22.6-153.0-109.7 134.6 8.1 5.4 78.0 49 51 A I E -IJ 29 56C 4 -20,-2.7 2,-0.7 -2,-0.4 -20,-0.7 -0.928 11.5-138.0-113.0 134.3 8.3 9.2 77.8 50 52 A D >> - 0 0 77 5,-2.4 4,-3.1 -2,-0.5 3,-0.5 -0.788 13.5-156.9 -88.5 116.4 6.3 11.6 79.9 51 53 A L T 34 S+ 0 0 64 -2,-0.7 -1,-0.2 1,-0.2 -23,-0.0 0.625 87.4 59.5 -69.6 -13.2 5.3 14.3 77.5 52 54 A K T 34 S+ 0 0 183 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.790 126.9 10.3 -84.1 -31.0 4.8 16.8 80.2 53 55 A T T <4 S- 0 0 93 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.557 90.8-122.9-122.5 -19.0 8.4 16.7 81.6 54 56 A G < + 0 0 12 -4,-3.1 -41,-0.2 1,-0.3 2,-0.2 0.500 57.0 155.1 83.9 2.8 10.4 14.7 79.0 55 57 A K - 0 0 154 -5,-0.3 -5,-2.4 -43,-0.1 -1,-0.3 -0.434 33.3-139.9 -68.4 134.3 11.3 12.3 81.8 56 58 A K E -J 49 0C 83 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.662 17.7-172.4 -98.0 154.2 12.2 8.8 80.6 57 59 A T E -J 48 0C 79 -9,-1.5 -9,-3.0 -2,-0.2 2,-0.7 -0.961 19.7-139.4-145.5 123.4 11.4 5.4 82.0 58 60 A V E +J 47 0C 65 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.742 24.7 172.5 -84.9 116.4 12.9 2.1 80.7 59 61 A I E + 0 0 27 -13,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.687 65.3 19.7 -96.3 -22.2 10.0 -0.4 80.8 60 62 A C E -J 46 0C 6 -14,-1.5 -14,-2.8 2,-0.0 -1,-0.3 -0.984 44.4-174.0-153.7 139.6 11.9 -3.2 79.0 61 63 A K - 0 0 92 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.842 36.8-141.0-129.9 83.5 15.4 -4.3 78.2 62 64 A P + 0 0 1 0, 0.0 7,-2.1 0, 0.0 2,-0.3 -0.233 31.2 161.0 -57.5 136.0 14.9 -7.3 75.9 63 65 A E E -L 68 0E 98 5,-0.2 2,-0.5 -20,-0.1 5,-0.2 -0.955 19.4-166.1-156.6 133.8 17.1 -10.3 76.2 64 66 A V E > S-L 67 0E 19 3,-2.2 3,-2.0 -2,-0.3 0, 0.0 -0.981 77.7 -21.8-126.1 119.2 16.7 -13.9 75.0 65 67 A N T 3 S- 0 0 130 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.826 129.8 -46.7 52.8 37.1 19.0 -16.6 76.3 66 68 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.420 112.1 120.1 88.5 -2.0 21.7 -14.0 77.3 67 69 A Y E < -L 64 0E 106 -3,-2.0 -3,-2.2 -26,-0.0 -1,-0.2 -0.876 55.6-141.8-101.8 115.9 21.5 -12.1 73.9 68 70 A G E -L 63 0E 17 -2,-0.6 -5,-0.2 -26,-0.3 -25,-0.2 -0.347 20.2-117.8 -74.6 153.9 20.5 -8.5 74.3 69 71 A G - 0 0 0 -7,-2.1 -25,-2.3 -25,-0.3 -1,-0.1 -0.445 10.1-149.3 -94.0 169.6 18.2 -6.8 71.7 70 72 A I - 0 0 23 -27,-0.1 18,-2.9 -2,-0.1 2,-0.2 -0.699 26.2-167.9-130.5 71.2 18.4 -4.0 69.2 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.475 19.9 157.5 -67.8 128.8 14.8 -2.8 69.2 72 74 A A E + 0 0 3 14,-3.0 -52,-0.8 1,-0.3 2,-0.3 0.549 49.8 32.0-132.5 -15.1 14.3 -0.4 66.3 73 75 A G E -M 86 0F 0 13,-1.4 13,-2.3 -54,-0.2 -1,-0.3 -0.997 56.8-165.0-150.5 149.4 10.6 -0.1 65.3 74 76 A C E +M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.976 13.1 178.8-138.4 157.1 7.1 -0.3 66.8 75 77 A Q E -M 84 0F 9 9,-1.8 9,-3.2 -2,-0.3 2,-0.4 -0.982 27.9-128.7-146.7 144.3 3.4 -0.6 66.1 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.788 24.2-125.0 -98.6 141.1 0.6 -0.7 68.7 77 79 A D - 0 0 19 5,-2.8 -52,-0.2 -2,-0.4 5,-0.1 -0.304 8.8-147.8 -77.7 165.6 -1.9 -3.5 68.6 78 80 A R S S+ 0 0 35 3,-0.1 -1,-0.1 48,-0.1 230,-0.1 0.857 90.8 45.4 -98.9 -55.3 -5.7 -2.9 68.4 79 81 A D S S+ 0 0 95 1,-0.1 2,-0.3 228,-0.1 -1,-0.0 0.632 126.3 24.8 -69.4 -13.3 -7.4 -5.8 70.2 80 82 A A S S- 0 0 37 2,-0.1 2,-1.8 0, 0.0 -3,-0.2 -0.989 85.2-113.7-148.5 146.3 -5.0 -5.5 73.1 81 83 A N S S+ 0 0 34 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.614 73.2 121.4 -83.0 84.0 -2.9 -2.6 74.4 82 84 A Q E - 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